SCHEMBL1718282

SCHEMBL1718282

Cc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(CO)c4)ccnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
CFD P00746 1/20 0.41
HTR6 P50406 3/20 0.40
MAP2K4 P45985 1/20 0.39
BRD4 O60885 5/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
RAPGEF4 Q8WZA2 2/20 0.37
FYN P06241 1/20 0.37
EED O75530 1/20 0.36
PKM P14618 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14494696 0.91 L3MBTL1 (0.49) L3MBTL1CFDHTR6BRD4PTGDR2
SCHEMBL1718083 0.90 L3MBTL1 (0.48) L3MBTL1CFDHTR6BRD4PTGDR2
SCHEMBL12346589 0.87 L3MBTL1 (0.54) L3MBTL1HTR6BRD4PIK3C3RAPGEF4
SCHEMBL1779961 0.86 L3MBTL1 (0.57) L3MBTL1HTR6BRD4PTGDR2RAPGEF4
SCHEMBL14494698 0.84 L3MBTL1 (0.48) L3MBTL1HTR6BRD4PTGDR2PIK3C3
SCHEMBL10125557 0.84 L3MBTL1 (0.48) L3MBTL1CFDHTR6PTGDR2PIK3C3
SCHEMBL10125556 0.83 PRKCI (0.47) L3MBTL1CFDHTR6MAP2K4BRD4
SCHEMBL1781229 0.82 L3MBTL1 (0.56) L3MBTL1BRD4PTGDR2RAPGEF4PKM
SCHEMBL1718127 0.82 JMJD6 (0.45) L3MBTL1PIK3C3
SCHEMBL2237896 0.81 L3MBTL1 (0.62) L3MBTL1HTR6BRD4PTGDR2RAPGEF4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-1881983-A1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE Vertex Pharmaceuticals, Inc. (US) 2008-01-30 EP disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
WO-2006127587-A1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 L3MBTL1 3383/4885CFD 4786/4885HTR6 3963/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.